General Information of the Compound
| Compound ID |
CP0463951
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| Compound Name |
N-(cyclopropylmethyl)-4-methoxy-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H32F3N3O3S
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| Molecular Weight |
511.61
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1
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| InChI |
InChI=1S/C25H32F3N3O3S/c1-34-23-8-10-24(11-9-23)35(32,33)31(19-20-6-7-20)13-3-12-29-14-16-30(17-15-29)22-5-2-4-21(18-22)25(26,27)28/h2,4-5,8-11,18,20H,3,6-7,12-17,19H2,1H3
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| InChIKey |
WUCMKNBEIOKYLN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00941, 5-hydroxytryptamine receptor 7